2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid

C10H18FNO3 — CID 153412198

IUPAC2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid
SMILESCC(C)N1CC(F)CC(OCC(=O)O)C1
InChIInChI=1S/C10H18FNO3/c1-7(2)12-4-8(11)3-9(5-12)15-6-10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyHETRUBWTZYOWSL-UHFFFAOYSA-N
MW219.26 g/mol
LogP0.91
Rot. Bonds4

About 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid

2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid (PubChem CID 153412198) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid
PubChem CID153412198
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid
SMILESCC(C)N1CC(F)CC(OCC(=O)O)C1
InChIInChI=1S/C10H18FNO3/c1-7(2)12-4-8(11)3-9(5-12)15-6-10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyHETRUBWTZYOWSL-UHFFFAOYSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
The IUPAC name of 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid (CID 153412198) is 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid is CC(C)N1CC(F)CC(OCC(=O)O)C1.
What is the InChIKey of 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
The InChIKey is HETRUBWTZYOWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-7(2)12-4-8(11)3-9(5-12)15-6-10(13)14/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid?
2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid has a molecular weight of 219.26 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propan-2-ylpiperidin-3-yl)oxyacetic acid is sourced from PubChem (CID 153412198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).